SCHEMBL160214

SCHEMBL160214

CCOC(=O)c1coc([O])n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
FBP1 P09467 1/20 0.43
GAA P10253 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRP O00591 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL163138 0.86 ALDH1A1 (0.43) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL2070169 0.84 CYP1A2 (0.55) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL158357 0.83 TSHR (0.46) CYP1A2ALDH1A1MAPTCYP2C19MAPK1
SCHEMBL31412793 0.82 CYP1A2 (0.53) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL161503 0.81 ALDH1A1 (0.45) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL24499444 0.81 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL559854 0.81 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL369268 0.81 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL1931216 0.81 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTMEN1
SCHEMBL9714181 0.81 CYP1A2 (0.51) CYP1A2NLRP3ALDH1A1MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 CYP1A2 4010/4885NLRP3 2066/4885ALDH1A1 1667/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.